个人简介
Dr. Zhanfeng Wang studies the molecular mechanism of enzymes, especially mononuclear metalloenzymes, with the methods including: molecular dynamics (MD) simulations, QM, QM/MM, QM/MM, MD, etc. At present, more than 10 papers have been published on top journals, such as J. Am. Chem. Soc. and Angew. Chem. Int. ed.
Education：
Postdoc., Computational Quantum Chemistry, 2019.9-2022.3
College of Chemistry and Chemical Engineering, Xiamen Univeristy.
Advisor: Prof. Binju Wang
Postdoc., Computational Quantum Chemistry, 2017.7-2019.4
Institute of Chemistry, The Hebrew University of Jerusalem.
Advisor: Prof. Sason Shaik
Ph.D., Condensed Matter Physics, 2012.9-2017.7
Laboratory of Soft Matter Physics, Institute of Physics (IOP), Chinese Academy of Sciences (CAS), China
Advisor: Prof. Ping Xie and Prof. Peng-Ye Wang
B.S., Physics, 2008.9-2012.6
School of Physics, Shandong University, China
Projects:
1. Multiscale theoretical simulation of oxygen activation mechanism in metalloenzymes, sponsored by NSFC, 01/2021-12/2024 (Participate)
2. Research on the translocation mechanism of information RNA in ribosomes through molecular dynamics simulation and theoretical analysis, sponsored by NSFC, 01/2018-12/2021 (Participate)
Honors and Awards:
Director Commends Scholarship in IOP, 2016
Director Scholarship in IOP, 2015
Merit student in University of Chinese Academy of Science, 2014-2015
Director Commends Scholarship in IOP, 2014
Merit Student Scholarship in Shandong University for three consecutive years from 2008 to 2011
Third Prize in Shandong Undergraduate Electronic Design Contest, 2010
National Inspirational Scholarship in Shandong University, 2009
研究领域
Dioxygen activation, electron transfer (ET), proton coupled electron transfer (PCET).
近期论文
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1. Wenwen Diao, Jing Peng, Xiaodi Fu, Fangfu Ye,* Zhanfeng Wang,* Preorganizaed Internal Electric Field Enables Nucleophilic Attack of a Nonactivated Water Molecule in Thymine DNA Glycosylase，J. Am. Chem. Soc., 2025, DOI: doi.org/10.1021/jacs.5c08420.
2. Zhanfeng Wang,* Xiaodi Fu, Wenwen Diao, Yao Wu,* Carme Rovira,* Binju Wang,* Theoretical study of the in situ formation of H2O2 by lytic polysaccharide monooxygenases: the reaction mechanism depends on the type of reductant. Chem Sci. , 2025, 16, 7, 3173-3186.
3. Xiaodi Fu, Wenwen Diao, Yanling Luo, Yajun Liu, and Zhanfeng Wang,* Theoretical Insight into the Fluorescence Spectral Tuning Mechanism: A Case Study of Flavin-Dependent Bacterial Luciferase, J. Chem. Theory Comput. , 2024, 20, 19, 8652-8664
4. Wenwen Diao, James D. Farrell, Binju Wang, Fangfu Ye,* and Zhanfeng Wang,* Preorganized Internal Electric Field Promotes a Double-Displacement Mechanism for the Adenine Excision Reaction by Adenine DNA Glycosylase, J. Phys. Chem. B , 2023, 127, 8551-8564.
5. Zhanfeng Wang,* Wenwen Diao, Peng Wu, Junfeng Li, Yuzhuang Fu, Zhiyong Guo, Zexing Cao, Sason Shaik, and Binju Wang,* How the Conformational Movement of the Substrate Drives the Regioselective C−N Bond Formation in P450 TleB: Insights from Molecular Dynamics Simulations and Quantum Mechanical/Molecular Mechanical Calculations, J. Am. Chem. Soc. , 2023, 145, 7252-7267.
6. Wenwen Diao, Shengheng Yan, James D. Farrell, Binju Wang,* Fangfu Ye,* and Zhanfeng Wang,* Preorganized Internal Electric Field Powers Catalysis in the Active Site of Uracil-DNA Glycosylase, ACS Catalysis , 2022, 12, 20, 12488-12499.
7. Lian Wu,† Zhanfeng Wang,† Yixin Cen,†* Binju Wang,* Jiahai Zhou,* Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1, Angew. Chem. Int. Ed. , 2022, 61, e202112063. (共同一作)
8. Zhanfeng Wang, Shishi Feng, Carme Rovira,* and Binju Wang,* How Oxygen Binding Enhances Long-Range Electron Transfer: Lessons from Reduction of Lytic Polysaccharide Monooxygenases by Cellobiose Dehydrogenase, Angew. Chem. Int. Ed. , 2021, 60, 2385-2392.
9. Zhanfeng Wang, Sason Shaik,* and Binju Wang,* Conformational Motion of Ferredoxin Enables Efficient Electron Transfer to Heme in the Full-Length P450(TT), J. Am. Chem. Soc. , 2021, 143, 1005-1016.
10. Zhanfeng Wang, David Danovich, Rajeev Ramanan, and Sason Shaik,* Oriented external electric fields create absolute enantioselectivity in Diels-Alder reactions: Importance of the molecular dipole moment, J. Am. Chem. Soc. , 2018, 140, 13350-13359.
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